3-(benzotriazol-2-yl)-5-(2-methylheptan-2-yl)-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-(benzotriazol-2-yl)-5-(2-methylheptan-2-yl)-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-(benzotriazol-2-yl)-5-(1,1-dimethylhexyl)-2-hydroxy-benzenesulfonic acid CAS Name: 3-(2-benzotriazolyl)-2-hydroxy-5-(2-methylheptan-2-yl)benzenesulfonic acid IUPAC Name: 3-(benzotriazol-2-yl)-2-hydroxy-5-(2-methylheptan-2-yl)benzenesulfonic acid Traditional Name: 3-(benzotriazol-2-yl)-5-(1,1-dimethylhexyl)-2-hydroxy-besylic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)O)O)N2N=C3C=CC=CC3=N2

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)O)O)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C20H25N3O4S/c1-4-5-8-11-20(2,3)14-12-17(19(24)18(13-14)28(25,26)27)23-21-15-9-6-7-10-16(15)22-23/h6-7,9-10,12-13,24H,4-5,8,11H2,1-3H3,(H,25,26,27)